2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide

C15H18N4O2S — CID 135561361

IUPAC2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1nnc(SCC(=O)N(c2ccccc2)C(C)C)[nH]c1=O
InChIInChI=1S/C15H18N4O2S/c1-10(2)19(12-7-5-4-6-8-12)13(20)9-22-15-16-14(21)11(3)17-18-15/h4-8,10H,9H2,1-3H3,(H,16,18,21)
InChIKeyMCQHJYHPQYVMHY-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.01
Rot. Bonds5

About 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 135561361) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID135561361
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1nnc(SCC(=O)N(c2ccccc2)C(C)C)[nH]c1=O
InChIInChI=1S/C15H18N4O2S/c1-10(2)19(12-7-5-4-6-8-12)13(20)9-22-15-16-14(21)11(3)17-18-15/h4-8,10H,9H2,1-3H3,(H,16,18,21)
InChIKeyMCQHJYHPQYVMHY-UHFFFAOYSA-N
XLogP2.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (CID 135561361) is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide is Cc1nnc(SCC(=O)N(c2ccccc2)C(C)C)[nH]c1=O.
What is the InChIKey of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is MCQHJYHPQYVMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10(2)19(12-7-5-4-6-8-12)13(20)9-22-15-16-14(21)11(3)17-18-15/h4-8,10H,9H2,1-3H3,(H,16,18,21).
What are the key properties of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 318.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 135561361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).